HRID90410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID66767171

未命名化合物

结构：COc1ccc(Cn2nc(-c3cncn3C)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID68510713

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(-c3cncn3C)c3c(Oc4ccc(NC(=O)c5ccnn(-c6ccc(F)cc6)c5=O)cc4F)ccnc32)cc1

HCID68515041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4513410c1c054e8da3f74b301949e4c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:52]([N:53]=[C:54]=[N:55][CH2:56][CH2:57][CH2:58][N:59]([CH3:60])[CH3:61])[CH3:62].[CH2:74]([N:75]([CH:76]([CH3:77])[CH3:78])[CH:79]([CH3:80])[CH3:81])[CH3:82].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10](-[c:26]3[cH:27][n:28][cH:29][n:30]3[CH3:31])[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]2)[cH:32][cH:33]1.[Cl:83][CH2:84][Cl:85].[ClH:51].[F:34][c:35]1[cH:36][cH:37][c:38](-[n:41]2[n:42][cH:43][cH:44][c:45]([C:48](=[O:49])[OH:50])[c:46]2=[O:47])[cH:39][cH:40]1.[OH2:63].[n:64]1([OH:65])[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10](-[c:26]3[cH:27][n:28][cH:29][n:30]3[CH3:31])[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH:24][C:48]([c:45]3[cH:44][cH:43][n:42][n:41](-[c:38]4[cH:37][cH:36][c:35]([F:34])[cH:40][cH:39]4)[c:46]3=[O:47])=[O:49])[cH:22][cH:23]2)[cH:32][cH:33]1